Lattice-Boltzmann Simulations of Fluid Flows in MEMS

The lattice Boltzmann model is a simplified kinetic method based on the particle distribution function. We use this method to simulate problems in MEMS, in which the velocity slip near the wall plays an important role. It is demonstrated that the lattice Boltzmann method can capture the fundamental behaviors in micro-channel flow, including velocity slip, nonlinear pressure drop along the channel and mass flow rate variation with Knudsen number. The Knudsen number dependence of the position of the vortex center and the pressure contour in micro-cavity flows is also demonstrated.     

Integral equations for the radial distribution functions of binary mixtures. Equation of state for a binary mixture

A system of integral equations obtained earlier for the radial distribution functions is used for the investigation of the equation of state of binary mixtures in the gaseous, critical, and intermediate regions in the direction isomorphic to the single-component liquid. The question of the universality of critical phenomena in mixtures is discussed.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 1, pp. 92–96, January, 1986.     

Numerical Simulations of Unsteady Flows from Rarefied Transition to Continuum Using Gas-Kinetic Unified Algorithm

Numerical simulations of unsteady gas flows are studied on the basis of Gas-Kinetic Unified Algorithm (GKUA) from rarefied transition to continuum flow regimes. Several typical examples are adopted. An unsteady flow solver is developed by solving the Boltzmann model equations, including the Shakhov model and the Rykov model etc. The Rykov kinetic equation involving the effect of rotational energy can be transformed into two kinetic governing equations with inelastic and elastic collisions by integrating the molecular velocity distribution function with the weight factor on the energy of rotational motion. Then, the reduced velocity distribution functions are devised to further simplify the governing equation for one- and two-dimensional flows. The simultaneous equations are numerically solved by the discrete velocity ordinate (DVO) method in velocity space and the finite-difference schemes in physical space. The time-explicit operator-splitting scheme is constructed, and numerical stability conditions to ascertain the time step are discussed. As the application of the newly developed GKUA, several unsteady varying processes of one- and two-dimensional flows with different Knudsen number are simulated, and the unsteady transport phenomena and rarefied effects are revealed and analyzed. It is validated that the GKUA solver is competent for simulations of unsteady gas dynamics covering various flow regimes.     

Gas Flow in Microchannels – A Lattice Boltzmann Method Approach

Gas flow in microchannels can often encounter tangential slip motion at the solid surface even under creeping flow conditions. To simulate low speed gas flows with Knudsen numbers extending into the transition regime, alternative methods to both the Navier–Stokes and direct simulation Monte Carlo approaches are needed that balance computational efficiency and simulation accuracy. The lattice Boltzmann method offers an approach that is particularly suitable for mesoscopic simulation where details of the molecular motion are not required. In this paper, the lattice Boltzmann method has been applied to gas flows with finite Knudsen number and the tangential momentum accommodation coefficient has been implemented to describe the gas-surface interactions. For fully-developed channel flows, the results of the present method are in excellent agreement with the analytical slip-flow solution of the Navier–Stokes equations, which are valid for Knudsen numbers less than 0.1. The present paper demonstrates that the lattice Boltzmann approach is a promising alternative simulation tool for the design of microfluidic devices.     

过渡区微尺度流动的有效黏性多松弛系数格子Boltzmann模拟

为提高采用二维九速离散速度模型的格子Boltzmann方法 (LBM)模拟微尺度流动中非线性现象的精度和效率,引入Dongari等提出的有效平均分子自由程对黏性进行修正(Dongari N,Zhang Y H,Reese J M2011 J.Fluids Eng.133 071101);并针对以往研究微尺度流动时采用边界处理格式含有离散误差的问题,采用多松弛系数格子Boltzmann方法结合二阶滑移边界条件,对微尺度Couette流动和周期性Poiseuille流动进行模拟,并将速度分布以及质量流量等模拟结果与直接模拟蒙特卡罗方法模拟数据、线性Boltzmann方程的数值解以及现有的LBM模型模拟结果进行对比.结果表明,相对于现有的LBM模型,引入新的修正函数所建立的有效黏性多松弛系数LBM模型有效提高了LBM模拟过渡区的微尺度流动中的非线性现象的能力.     

考虑转动能的一维/二维Boltzmann-Rykov模型方程数值算法

研究考虑转动能的Boltzmann-Rykov模型方程,基于转动自由度对气体分子速度分布函数矩积分,引入约化速度分布函数,应用离散速度坐标法与数值积分技术,将气体运动论模型方程化为在离散速度坐标点处关于三个约化速度分布函数的联立方程组.应用拓展计算流体力学有限差分方法,数值计算考虑转动自由度的双原子气体一维、二维Boltzmann模型方程,得到高、低Knudsen数一维激波管内流动和二维竖直平板绕流问题的流场,分析验证考虑转动能的Boltzmann-Rykov模型方程全流域统一算法求解一维/二维气体流动问题的可靠性.结果表明,气体稀薄程度与分子内自由度对流场具有较大影响,且Knudsen数较高的稀薄气体流动呈现严重的非平衡流动特点.     

Gas-kinetic numerical studies of three-dimensional complex flows on spacecraft re-entry

The gas-kinetic numerical algorithm solving the Boltzmann model equation is extended and developed to study the three-dimensional hypersonic flows of spacecraft re-entry into the atmosphere in perfect gas. In this study, the simplified velocity distribution function equation for various flow regimes is presented on the basis of the kinetic Boltzmann–Shakhov model. The discrete velocity ordinate technique and numerical quadrature methods, such as the Gauss quadrature formulas with the weight function 2/π^1/2exp(?V²) and the Gauss–Legendre numerical quadrature rule, are studied to resolve the barrier in simulating complex flows from low Mach numbers to hypersonic problems. Specially, the gas-kinetic finite-difference scheme is constructed for the computation of three-dimensional flow problems, which directly captures the time evolution of the molecular velocity distribution function. The gas-kinetic boundary conditions and numerical procedures are studied and implemented by directly acting on the velocity distribution function. The HPF (high performance fortran) parallel implementation technique for the gas-kinetic numerical method is developed and applied to study the hypersonic flows around three-dimensional complex bodies. The main purpose of the current research is to provide a way to extend the gas-kinetic numerical algorithm to the flow computation of three-dimensional complex hypersonic problems with high Mach numbers. To verify the current method and simulate gas transport phenomena covering various flow regimes, the three-dimensional hypersonic flows around sphere and spacecraft shape with different Knudsen numbers and Mach numbers are studied by HPF parallel computing. Excellent results have been obtained for all examples computed.     

A fast iterative model for discrete velocity calculations on triangular grids

A fast synthetic type iterative model is proposed to speed up the slow convergence of discrete velocity algorithms for solving linear kinetic equations on triangular lattices. The efficiency of the scheme is verified both theoretically by a discrete Fourier stability analysis and computationally by solving a rarefied gas flow problem. The stability analysis of the discrete kinetic equations yields the spectral radius of the typical and the proposed iterative algorithms and reveal the drastically improved performance of the latter one for any grid resolution. This is the first time that stability analysis of the full discrete kinetic equations related to rarefied gas theory is formulated, providing the detailed dependency of the iteration scheme on the discretization parameters in the phase space. The corresponding characteristics of the model deduced by solving numerically the rarefied gas flow through a duct with triangular cross section are in complete agreement with the theoretical findings. The proposed approach may open a way for fast computation of rarefied gas flows on complex geometries in the whole range of gas rarefaction including the hydrodynamic regime.     

Hydrodynamics beyond Navier-Stokes: exact solution to the lattice Boltzmann hierarchy

The exact solution to the hierarchy of nonlinear lattice Boltzmann (LB) kinetic equations in the stationary planar Couette flow is found at nonvanishing Knudsen numbers. A new method of solving LB kinetic equations which combines the method of moments with boundary conditions for populations enables us to derive closed-form solutions for all higher-order moments. A convergence of results suggests that the LB hierarchy with larger velocity sets is the novel way to approximate kinetic theory.     

Variable slip coefficient in binary lattice Boltzmann models

We present a new method in order to obtain variable slip coefficient in binary lattice Boltzmann models to simulate gaseous flows. We present the Boundary layer theory. We study both the single-and multi-fluid BGK-type models as well. The boundary slip and the Knudsen layer are analyzed in detail. Benchmark simulations are carried out in order to compare the analytical derivation with the numerical results. Excellent agreement is found between the two analytical formalism and the numerical simulations.      

Ions at helium interfaces

The boundaries between different phases of condensed helium provide an interesting testing ground for studying ions in a quantum matter matrix. Here we consider the simplest positive and negative ions in helium — snowballs and electron bubbles, respectively — being trapped at the liquid-liquid interface of phaseseparated³He–⁴He mixtures and at the liquid-solid interface of⁴He. A comparison of experimental results for the trapping with predictions of the snowball and the bubble models shows that the models are in qualitative accord with the observations, but disagree in detail. It is suggested to use such studies for refinements of the ion models. In addition multielectron bubbles (=mesoscopic ions) and electrons on helium films are briefly discussed.     

Solutions to the Boltzmann Equation in the Boussinesq Regime

We consider a gas in a horizontal slab in which the top and bottom walls are kept at different temperatures. The system is described by the Boltzmann equation (BE) with Maxwellian boundary conditions specifying the wall temperatures. We study the behavior of the system when the Knudsen number is small and the temperature difference between the walls as well as the velocity field is of order , while the gravitational force is of order ². We prove that there exists a solution to the BE for which is near a global Maxwellian, and whose moments are close, up to order ², to the density, velocity and temperature obtained from the smooth solution of the Oberbeck–Boussinesq equations assumed to exist for .     

Discrete Boltzmann Method with Maxwell-Type Boundary Condition for Slip Flow

The rarefied effect of gas flow in microchannel is significant and cannot be well described by traditional hydrodynamic models. It has been known that discrete Boltzmann model(DBM) has the potential to investigate flows in a relatively wider range of Knudsen number because of its intrinsic kinetic nature inherited from Boltzmann equation.It is crucial to have a proper kinetic boundary condition for DBM to capture the velocity slip and the flow characteristics in the Knudsen layer. In this paper, we present a DBM combined with Maxwell-type boundary condition model for slip flow. The tangential momentum accommodation coefficient is introduced to implement a gas-surface interaction model.Both the velocity slip and the Knudsen layer under various Knudsen numbers and accommodation coefficients can be well described. Two kinds of slip flows, including Couette flow and Poiseuille flow, are simulated to verify the model.To dynamically compare results from different models, the relation between the definition of Knudsen number in hard sphere model and that in BGK model is clarified.     

Spectral anomalies of the light-induced drift of rubidium atoms caused by the velocity dependence of transport collision frequencies

The spectral features of the light-induced drift (LID) velocity for rubidium atoms (⁸⁵Rb and ⁸⁷Rb) in an argon buffer medium and in binary buffer mixtures of noble gases (Ne + Ar, Ne + Kr, Ne + Xe, He + Ar, He + Kr, and He + Xe) have been investigated theoretically. A strong temperature dependence of the spectral shape of the LID signal for Rb atoms in an Ar atmosphere is predicted in the temperature range 450 K < T < 800 K. It is shown that the anomalous LID of Rb atoms in binary buffer mixtures of noble gases can be observed at almost any temperature (including the room one) depending on the fractions of neon or helium in these mixtures. The results obtained enable a highly accurate testing of the interatomic interaction potentials used to calculate the drift velocity for anomalous LID in LID experiments.     

Higher-order quadrature-based moment methods for kinetic equations

Kinetic equations containing terms for spatial transport, body forces, and particle–particle collisions occur in many applications (e.g., rarefied gases, dilute granular gases, fluid-particle flows). The direct numerical solution of the kinetic equation is usually intractable due to the large number of independent variables. A useful alternative is to reformulate the problem in terms of the moments of the velocity distribution function. Closure of the moment equations is challenging for flows sufficiently far away from the Maxwellian limit. In previous work, a quadrature-based third-order moment closure was derived for approximating solutions to the kinetic equation for arbitrary Knudsen number. A key component of quadrature-based closures is the moment-inversion algorithm used to find the non-negative weights and velocity abscissas. Here, a robust inversion procedure is proposed for three-component velocity moments up to ninth order. By reconstructing the velocity distribution function, the spatial fluxes in the moment equations are treated using a kinetic-based finite-volume solver. Because the quadrature-based moment method employs the moment transport equations directly instead of a discretized form of the kinetic equation, the mass, momentum and energy are conserved for arbitrary Knudsen and Mach numbers. The computational algorithm is tested for the Riemann shock problem and, for increasing Knudsen numbers (i.e. larger deviations from the Maxwellian limit), the accuracy of the moment closure is shown to be determined by the discrete representation of the spatial fluxes.     

Kinetic processes of muonic atom and ion formation in rare gases (spur model)

The possibility of_µF^– formation due to electron attachment to a Xe_µF molecule in_µSR-experiments with a gaseous Ne/Xe mixture is considered. This model explains the results of experiments in Ar and Ne with and without an external electric field.     

Mathematical modeling of tunable TEA CO2 lasers

A mathematical model, based on the Landau–Teller equations of six-temperature model for the CO₂–N₂–He–CO system, to describe the process of dynamic emission in tunable TEA CO₂ lasers is introduced. In this model, the Landau–Teller equations are rewritten with regard to fine longitudinal mode frequencies in the laser resonator. These revised equations can be utilized to estimate the laser output spectra as well as other laser output pulse parameters. Examples are given to show the modeling results of non-tunable, grating tuned or injection-locking TEA CO₂ lasers.     

Kinetic Models for Granular Flow

The generalization of the Boltzmann and Enskog kinetic equations to allow inelastic collisions provides a basis for studies of granular media at a fundamental level. For elastic collisions the significant technical challenges presented in solving these equations have been circumvented by the use of corresponding model kinetic equations. The objective here is to discuss the formulation of model kinetic equations for the case of inelastic collisions. To illustrate the qualitative changes resulting from inelastic collisions the dynamics of a heavy particle in a gas of much lighter particles is considered first. The Boltzmann–Lorentz equation is reduced to a Fokker–Planck equation and its exact solution is obtained. Qualitative differences from the elastic case arise primarily from the cooling of the surrounding gas. The excitations, or physical spectrum, are no longer determined simply from the Fokker–Planck operator, but rather from a related operator incorporating the cooling effects. Nevertheless, it is shown that a diffusion mode dominates for long times just as in the elastic case. From the spectral analysis of the Fokker–Planck equation an associated kinetic model is obtained. In appropriate dimensionless variables it has the same form as the BGK kinetic model for elastic collisions, known to be an accurate representation of the Fokker–Planck equation. On the basis of these considerations, a kinetic model for the Boltzmann equation is derived. The exact solution for states near the homogeneous cooling state is obtained and the transport properties are discussed, including the relaxation toward hydrodynamics. As a second application of this model, it is shown that the exact solution for uniform shear flow arbitrarily far from equilibrium can be obtained from the corresponding known solution for elastic collisions. Finally, the kinetic model for the dense fluid Enskog equation is described.     

Gas kinetic algorithm for flows in Poiseuille-like microchannels using Boltzmann model equation

~~Gas kinetic algorithm for flows in Poiseuille-like microchannels using Boltzmann model equation1. Feynman, R., There's plenty of room at the bottom, Journal of Microelectromechanical Systems, 1992, 1: 60 -66. 2. Piekos, E. S., Breuer, K. S., Numerical modeling of micromechanical devices using the direct simulation Monte Carlo method, Transactions of the ASME, Journal of Fluids Engineering, 1996, 118: 464-469. 3. Beskok, A., Karniadakis, G. E., Trimmer, W., Rarefaction and …     

Study of Preferential Solvation in Binary Mixtures by Means of Frequency-Domain Fluorescence Spectroscopy

The preferential solvation of 8-N,N-(dimethylamino)-11H-indeno[2,1-a]pyrene, Py(S)DMA, in its transient charge transfer (CT) state in binary solvents such as toluene/DMSO liquid mixtures was studied by means of frequency-domain fluorometry. The data obtained were considered within the following kinetic scheme: the preferential solvation was described by the system of consecutive reversible reactions of which each step is associated with the absorption of one DMSO molecule in the first solvation shell of the fluoresent Py(S)DMA dipolar CT molecule. The rate constants of the first two reversible elementary processes (i.e., the decay of solvation complexes of Py(S)DMA with one and two polar molecules, k _–1 = 1.1 10⁹ s^–1 and k _–2 = 1.4 10⁹ s^–1) were determined.